7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol

C19H19N3O2 — CID 135484535

IUPAC7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol
SMILESCCN1CCc2c(c(-c3ccccc3)cc3c(N=O)c(O)[nH]c23)C1
InChIInChI=1S/C19H19N3O2/c1-2-22-9-8-13-16(11-22)14(12-6-4-3-5-7-12)10-15-17(13)20-19(23)18(15)21-24/h3-7,10,20,23H,2,8-9,11H2,1H3
InChIKeyNWXJPZKNJZCGLN-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.32
Rot. Bonds3

About 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol

7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol (PubChem CID 135484535) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol.

Molecular Properties

Compound Name7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol
PubChem CID135484535
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol
SMILESCCN1CCc2c(c(-c3ccccc3)cc3c(N=O)c(O)[nH]c23)C1
InChIInChI=1S/C19H19N3O2/c1-2-22-9-8-13-16(11-22)14(12-6-4-3-5-7-12)10-15-17(13)20-19(23)18(15)21-24/h3-7,10,20,23H,2,8-9,11H2,1H3
InChIKeyNWXJPZKNJZCGLN-UHFFFAOYSA-N
XLogP4.32
TPSA68.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol with MolForge

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Related Compounds

5-(3,5-dimethylphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
CID 135745771
5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
CID 135745773
5-(3-aminophenyl)-8-methyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
CID 135869648
8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
CID 135900352
3-(2-hydroxy-8-methyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-5-yl)thiophene-2-carbaldehyde
CID 135900343
7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 24757234
8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one
CID 90982083
2-hydroxy-N,N,7-trimethyl-3-nitroso-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinoline-5-sulfonamide;hydrochloride
CID 135548432
7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one
CID 90855444
2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile
CID 24757230
8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
CID 59647495
2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline
CID 87982262

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol?
The IUPAC name of 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol (CID 135484535) is 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol.
What is the SMILES notation for 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol?
The canonical SMILES for 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol is CCN1CCc2c(c(-c3ccccc3)cc3c(N=O)c(O)[nH]c23)C1.
What is the InChIKey of 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol?
The InChIKey is NWXJPZKNJZCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-22-9-8-13-16(11-22)14(12-6-4-3-5-7-12)10-15-17(13)20-19(23)18(15)21-24/h3-7,10,20,23H,2,8-9,11H2,1H3.
What are the key properties of 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol?
7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol has a molecular weight of 321.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol is sourced from PubChem (CID 135484535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).